Chemical ID: 4728728

CC(C)Cc1ccc(cc1)C(=O)C(C)Cl
Chemical ID:
4728728
Name [?]:
2-chloro-1-(4-isobutylphenyl)-propan-1-one
SMILES [?]:
CC(C)Cc1ccc(cc1)C(=O)C(C)Cl
InChi [?]:
InChI=1/C13H17ClO/c1-9(2)8-11-4-6-12(7-5-11)13(15)10(3)14/h4-7,9-10H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,14,6,10,7,9,4,2,13,5,8,11,15,12/E:(1,2)(4,5)(6,7)/rA:15cCCCCCCCCCCCOCCCl/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17ClO
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.51761
Area:419.044
Solvation:-1.9585
Coulombic:-10.6183
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:224.726
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.37
LogP (Chemaxon):4.07

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Descriptor Annotations

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